[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate

C18H14ClN3O4 — CID 25161919

IUPAC[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
SMILESCC(OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C18H14ClN3O4/c1-10(17(24)22-15-7-6-11(19)9-20-15)26-18(25)13-8-16(23)21-14-5-3-2-4-12(13)14/h2-10H,1H3,(H,21,23)(H,20,22,24)
InChIKeyRINRNCOVWKBHGT-UHFFFAOYSA-N
MW371.78 g/mol
LogP2.76
Rot. Bonds4

About [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate

[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 25161919) has the molecular formula C18H14ClN3O4 and a molecular weight of 371.78 g/mol. Its IUPAC name is [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
PubChem CID25161919
Molecular FormulaC18H14ClN3O4
Molecular Weight371.78 g/mol
Exact Mass371.07
IUPAC Name[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
SMILESCC(OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C18H14ClN3O4/c1-10(17(24)22-15-7-6-11(19)9-20-15)26-18(25)13-8-16(23)21-14-5-3-2-4-12(13)14/h2-10H,1H3,(H,21,23)(H,20,22,24)
InChIKeyRINRNCOVWKBHGT-UHFFFAOYSA-N
XLogP2.76
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.78
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

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[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
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[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 1H-indole-2-carboxylate
CID 42886016
[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 16529856
[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] benzoate
CID 2517073
[1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 42901295
[1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 16529842
[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-hydroxynaphthalene-2-carboxylate
CID 7485921
[1-(4-cyanoanilino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 42888803
[1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 42901293
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 7761837

Frequently Asked Questions

What is the IUPAC name of [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate (CID 25161919) is [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate is CC(OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is RINRNCOVWKBHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O4/c1-10(17(24)22-15-7-6-11(19)9-20-15)26-18(25)13-8-16(23)21-14-5-3-2-4-12(13)14/h2-10H,1H3,(H,21,23)(H,20,22,24).
What are the key properties of [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate?
[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 371.78 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 25161919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).